Binding information for 2vcg_ligand_1_2.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vcg_ligand_1_2.mol2 | 2vcg | 1 | -5.31 | C(C(=O)OC)NC=O | 8 |
Structure and binding mode of 2vcg_ligand_1_2.mol2(FDBF00139)
Important binding residues for 2vcg_ligand_1_2.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vcg | ALA28 | -0.82 | 0.14 | -0.68 | -0.16 | -0.84 |
| 2vcg | ILE106 | 0.19 | -0.76 | -0.57 | 0.25 | -0.32 |
| 2vcg | PHE214 | -0.49 | -0.28 | -0.77 | 0.15 | -0.62 |
| 2vcg | TYR344 | -1.06 | -0.41 | -1.47 | 0.51 | -0.97 |
| 2vcg | PHE347 | -2.08 | -0.52 | -2.6 | 0.41 | -2.19 |
